ID: | 71 | |
---|---|---|
Name: | 4-tert-butylbenzaldehyde | |
Description: | ||
Labels: | training | |
CAS: | 939-97-9 | |
InChi Code: | InChI=1S/C11H14O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-8H,1-3H3 |
pEC50: 15-minute algal toxicity as log(1/EC50) [log(1/mM)] i
Value | Source or prediction |
---|---|
1 |
experimental value |
0.910 |
Eq5: MLR with logKow - non-polar narcosis (Training set) |
0.701 |
Eq6: MLR with logKow and LUMO (Training set) |
0.741 |
Eq7: MLR with logKow, LUMO and ∆1χv (Training set) |
0.834 |
Eq8: MLR with logKow, LUMO and ∆1χv (Training set) |
0.5300 |
Fig5: Non-linear kNN model, k = 7 (Training set) |
0.5772 |
Fig7: Non-linear kNN consensus model, k = 5, 6, 7 (Training set) |
Link | Resource description |
---|---|
DTXSID6027343 | US EPA CompTox Dashboard |